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Basic Description
| Synonyms | CCRIS 6497 | EINECS 207-499-6 | 6-Nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid | DB11394 | AristolochicacidB | 10-Nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic acid | HY-N0511 | 6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid | Ar |
|---|---|
| Specifications & Purity | ≥98%(HPLC) |
| Biochemical and Physiological Mechanisms | Mutagenic agent. Forms DNA adducts in vivo. Shows more activity than Aristolochic acid I ( Asc 2618 ). Orally active. |
| Storage Temp | Store at 2-8°C,Desiccated |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Note | Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenanthrenes and derivatives
- Subclass Aristolochic acids and derivatives
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Class
Phenanthrenes and derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenanthrenes and derivatives |
| Subclass | Aristolochic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aristolochic acids and derivatives |
| Alternative Parents | Nitronaphthalenes Naphthalenecarboxylic acids Benzodioxoles Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Benzodioxole - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504756652 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756652 |
| IUPAC Name | 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid |
| INCHI | InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19) |
| InChIKey | MEEXETVZNQYRSP-UHFFFAOYSA-N |
| Smiles | C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-] |
| Isomeric SMILES | C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-] |
| Molecular Weight | 311.25 |
| Reaxy-Rn | 329754 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=329754&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2318558 |
Certificate of Analysis | Dec 13, 2022 | A303785 |
| B2318727 |
Certificate of Analysis | Dec 13, 2022 | A303785 |
| B2318536 |
Certificate of Analysis | Dec 13, 2022 | A303785 |
Chemical and Physical Properties
| Boil Point(°C) | 592.2±50.0℃ at 760 mmHg |
|---|---|
| Melt Point(°C) | 270-272℃ |
| Molecular Weight | 311.240 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 311.043 Da |
| Monoisotopic Mass | 311.043 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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